(2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol

C11H25NO2 — CID 29014802

IUPAC(2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)N[C@@H](C)CC(C)(C)OC
InChIInChI=1S/C11H25NO2/c1-6-10(8-13)12-9(2)7-11(3,4)14-5/h9-10,12-13H,6-8H2,1-5H3/t9-,10+/m0/s1
InChIKeyKBQCZHCLPZZVFO-VHSXEESVSA-N
MW203.33 g/mol
LogP1.55
Rot. Bonds7

About (2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol

(2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol (PubChem CID 29014802) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is (2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol
PubChem CID29014802
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name(2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)N[C@@H](C)CC(C)(C)OC
InChIInChI=1S/C11H25NO2/c1-6-10(8-13)12-9(2)7-11(3,4)14-5/h9-10,12-13H,6-8H2,1-5H3/t9-,10+/m0/s1
InChIKeyKBQCZHCLPZZVFO-VHSXEESVSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol with MolForge

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Related Compounds

N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine
CID 115723603
2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol
CID 115705335
(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
CID 55300150
(2R)-2-(4-methylpentan-2-ylamino)butan-1-ol
CID 103922364
(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol
CID 28723565
N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
CID 82684700
N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine
CID 115724125
2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895048
N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide
CID 103021223
(2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol
CID 28724744
tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
CID 103391216
4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol
CID 103949543

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol (CID 29014802) is (2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol is CC[C@H](CO)N[C@@H](C)CC(C)(C)OC.
What is the InChIKey of (2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol?
The InChIKey is KBQCZHCLPZZVFO-VHSXEESVSA-N. The full InChI is InChI=1S/C11H25NO2/c1-6-10(8-13)12-9(2)7-11(3,4)14-5/h9-10,12-13H,6-8H2,1-5H3/t9-,10+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol?
(2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol is sourced from PubChem (CID 29014802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).